Structure of PDB 7d4d Chain A Binding Site BS01

Receptor Information
>7d4d Chain A (length=506) Species: 5547 (Trichoderma viride) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EELPPRKVCIVGAGVSGLYIAMILDDLKIPNLTYDIFESSSRTGGRLYTH
HFTDAKHDYYDIGAMRYPDIPSMKRTFNLFKRTGMPLIKYYLDGENTPQL
YNNHFFAKGVVDPYMVSVANGGTVPDDVVDSVGEKLQQAFGYYKEKLAED
FDKGFDELMLVDDMTTREYLKRGGPKGEAPKYDFFAIQWMETQNTGTNLF
DQAFSESVIDSFDFDNPTKPEWYCIEGGTSLLVDAMKETLVHKVQNNKRV
EAISIDLDAPDDGNMSVKIGGKDYSGYSTVFNTTALGCLDRMDLRGLNLH
PTQADAIRCLHYDNSTKVALKFSYPWWIKDCGITCGGAASTDLPLRTCVY
PSYNLGDTGEAVLLASYTWSQDATRIGSLVKDAPPPKEDELVELILQNLA
RLHAEHMTYEKIKEAYTGVYHAYCWANDPNVGGAFALFGPGQFSNLYPYL
MRPAAGGKFHIVGEASSVHHAWIIGSLESAYTAVYQFLYKYKMWDYLRLL
LERWQY
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7d4d Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7d4d Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
Resolution2.29 Å
Binding residue
(original residue number in PDB)		G91 G93 V94 S95 E117 S118 G124 R125 G142 A143 M144 R145 Y146 R328 V329 T363 C367 S394 W506 N511 A515 F516 E545 A552 W553 I554 S557
Binding residue
(residue number reindexed from 1)		G12 G14 V15 S16 E38 S39 G45 R46 G63 A64 M65 R66 Y67 R249 V250 T284 C288 S315 W425 N430 A434 F435 E464 A471 W472 I473 S476
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0001716 L-amino-acid oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009063 amino acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7d4d, PDBe:7d4d, PDBj:7d4d
PDBsum7d4d
PubMed33554108
UniProtA0A0G4DCU0

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